Information card for entry 7001087

Structure parameters

• Formula: C36 H48 Cu3 F12 Mo3 N24 O6
• Calculated formula: C36 H48 Cu3 F12 Mo3 N24 O6
• Title of publication: Organic‒inorganic hybrid chains and layers constructed from copper-amine cations and early transition metal (Nb, Mo) oxyfluoride anions
• Authors of publication: Mahenthirarajah, Thushitha; Li, Yang; Lightfoot, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3280 - 3285
• a: 31.427 ± 0.007 Å
• b: 12.608 ± 0.002 Å
• c: 16.951 ± 0.004 Å
• α: 90°
• β: 120.476 ± 0.004°
• γ: 90°
• Cell volume: 5789 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No